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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 734647Generated: October 30, 2026

2-Fluoro-5-(trifluoromethyl)phenyl isocyanate → HCID 57845560, compound

https://huagongshe.com/reaction/734647

Reaction equation

Participants

RoleNameHCIDCharge
Reactant2-Fluoro-5-(trifluoromethyl)phenyl isocyanateHCID 2733380—
ReactantHCID 69059862HCID 69059862—
SolventTetrahydrofuranHCID 8028—
ProductHCID 57845560HCID 57845560200.2%

Reaction Conditions

Temperature60 °C

Reaction Steps

0.031 cm3 (0.0213 mmol) of 2-fluoro-5-trifluoromethylphenyl isocyanate is added at a temperature in the region of 25° C. to 0.056 g (0.194 mmol) of 4-(4-aminophenyl)-2-(3-ethylureido)-1H-pyrrole-3-carboxamide in solution in 20 cm3 of tetrahydrofuran. After stirring for 16 hours at a temperature in the region of 60° C., the reaction mixture is concentrated to dryness under reduced pressure (2.7 kPa). The residue is then diluted in 40 cm3 of ethyl acetate and then washed with twice 30 cm3 of water. The organic solution is dried over anhydrous magnesium sulphate, filtered and concentrated to dryness under reduced pressure (2.7 kPa) to give a residue which is purified by flash chromatography [eluent: dichloromethane/methanol/acetonitrile (95/2.5/2.5 by volume)]. After concentrating the fractions under reduced pressure, 0.021 g of 2-(3-ethylureido)-4-{4-[3-(2-fluoro-5-trifluoromethylphenyl)ureido]phenyl}-1H-pyrrole-3-carboxamide is obtained in the form of a yellow solid. ES+: m/z=494 (MH+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07592365B2
Source datasetuspto-grants-2009_09
ORD IDord-3ca06cdf01034fac8dab2a5c44a2b61a
Source noteuspto-grants-2009_09